BDBM50137745 (1S,3aR,6aS)-2-[(S)-2-((R)-2-Hydroxy-3-methyl-butyrylamino)-3-methyl-butyryl]-octahydro-cyclopenta[c]pyrrole-1-carboxylic acid (1-cyclopropylaminooxalyl-butyl)-amide::CHEMBL313888

SMILES: CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@H](O)C(C)C)C(C)C)C(=O)C(=O)NC1CC1

InChI Key: InChIKey=IAAGISIVNJHHPV-FJKHESGNSA-N

Data: 1 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50137745   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Human rhinovirus A protease (Human rhinovirus B)	BDBM50137745 ((1S,3aR,6aS)-2-[(S)-2-((R)-2-Hydroxy-3-methyl-buty...) Show SMILES CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@H](O)C(C)C)C(C)C)C(=O)C(=O)NC1CC1 Show InChI InChI=1S/C27H44N4O6/c1-6-8-19(23(33)26(36)28-17-11-12-17)29-24(34)21-18-10-7-9-16(18)13-31(21)27(37)20(14(2)3)30-25(35)22(32)15(4)5/h14-22,32H,6-13H2,1-5H3,(H,28,36)(H,29,34)(H,30,35)/t16-,18-,19?,20-,21-,22+/m0/s1	MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.45E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratory Curated by ChEMBL					Assay Description Binding affinity towards Protease using PNA assay in rats				Bioorg Med Chem Lett 14: 263-6 (2003) BindingDB Entry DOI: 10.7270/Q2VX0FX5
					More data for this Ligand-Target Pair
Human rhinovirus A protease (Human rhinovirus B)	BDBM50137745 ((1S,3aR,6aS)-2-[(S)-2-((R)-2-Hydroxy-3-methyl-buty...) Show SMILES CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@H](O)C(C)C)C(C)C)C(=O)C(=O)NC1CC1 Show InChI InChI=1S/C27H44N4O6/c1-6-8-19(23(33)26(36)28-17-11-12-17)29-24(34)21-18-10-7-9-16(18)13-31(21)27(37)20(14(2)3)30-25(35)22(32)15(4)5/h14-22,32H,6-13H2,1-5H3,(H,28,36)(H,29,34)(H,30,35)/t16-,18-,19?,20-,21-,22+/m0/s1	MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratory Curated by ChEMBL					Assay Description Cytotoxic activity in rat liver Huh-7 cells				Bioorg Med Chem Lett 14: 263-6 (2003) BindingDB Entry DOI: 10.7270/Q2VX0FX5
					More data for this Ligand-Target Pair